General Information of the Compound
Compound ID
CP0320934
Compound Name
US9505765, 184
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Structure
Formula
C15H20N4O2
Molecular Weight
288.351
Canonical SMILES
CC(C)COc1ncnc2[nH]cc(\C=C\C(=O)N(C)C)c12
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InChI
InChI=1S/C15H20N4O2/c1-10(2)8-21-15-13-11(5-6-12(20)19(3)4)7-16-14(13)17-9-18-15/h5-7,9-10H,8H2,1-4H3,(H,16,17,18)/b6-5+
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InChIKey
OMSUAZHPXSYOQO-AATRIKPKSA-N
Physicochemical Property
logP
2.0941
Rotatable Bonds
5
Heavy Atom Count
21
Polar Areas
71.11
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
21

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 73052067
ChEMBL ID
CHEMBL3919897
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01164, Mitogen-activated protein kinase kinase kinase 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 = 190 nM
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